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Home > Imidazoles > 50847-06-8
50847-06-8 | 2-PHENYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
CAS No: 50847-06-8 Catalog No: AG00DA8L MDL No:MFCD05863325
Product Description
Catalog Number:
AG00DA8L
Chemical Name:
2-PHENYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
CAS Number:
50847-06-8
Molecular Formula:
C11H6N4
Molecular Weight:
194.1921
MDL Number:
MFCD05863325
IUPAC Name:
2-phenyl-1H-imidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C11H6N4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5H,(H,14,15)
InChI Key:
PGSHQANDAMACEF-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c(nc1C#N)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.197g/mol
Monoisotopic Mass:
194.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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